[4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone

C13H20N4O — CID 104668815

IUPAC[4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESCCCNC1CCN(C(=O)c2ccnnc2)CC1
InChIInChI=1S/C13H20N4O/c1-2-6-14-12-4-8-17(9-5-12)13(18)11-3-7-15-16-10-11/h3,7,10,12,14H,2,4-6,8-9H2,1H3
InChIKeyNJPPXYLVLFTCHM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.08
Rot. Bonds4

About [4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone

[4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 104668815) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone
PubChem CID104668815
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone
SMILESCCCNC1CCN(C(=O)c2ccnnc2)CC1
InChIInChI=1S/C13H20N4O/c1-2-6-14-12-4-8-17(9-5-12)13(18)11-3-7-15-16-10-11/h3,7,10,12,14H,2,4-6,8-9H2,1H3
InChIKeyNJPPXYLVLFTCHM-UHFFFAOYSA-N
XLogP1.08
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylamino)pyrrolidin-1-yl]-pyridazin-4-ylmethanone
CID 104671679
(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819285
(3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60818593
(5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 104637888
[4-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672545
4-(propylamino)-N-pyridin-4-ylpiperidine-1-carboxamide
CID 143091421
(2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819959
(4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107670478
(4-ethylphenyl)-[4-(pyridazine-4-carbonyl)piperazin-1-yl]methanone
CID 146084360
4-(propylamino)piperidine-1-carbothioic S-acid
CID 143221289
(4-methylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 112702155
N-(1-ethylsulfonylpiperidin-4-yl)pyridazine-4-carboxamide
CID 127667132

Frequently Asked Questions

What is the IUPAC name of [4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone (CID 104668815) is [4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone is CCCNC1CCN(C(=O)c2ccnnc2)CC1.
What is the InChIKey of [4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is NJPPXYLVLFTCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-2-6-14-12-4-8-17(9-5-12)13(18)11-3-7-15-16-10-11/h3,7,10,12,14H,2,4-6,8-9H2,1H3.
What are the key properties of [4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone?
[4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 248.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 104668815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).